(2S)-2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-phenyl-propanenitrile

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-phenyl-propanenitrile Openeye Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenyl-propanenitrile CAS Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenylpropanenitrile IUPAC Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenylpropanenitrile Traditional Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-keto-3-phenyl-propionitrile Formula: C16H10N2OS MolecularWeight: 278.3284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[C@H](C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H10N2OS/c17-10-12(15(19)11-6-2-1-3-7-11)16-18-13-8-4-5-9-14(13)20-16/h1-9,12H/t12-/m0/s1